UniProt P14061
Estradiol 17-beta-dehydrogenase 1 (P14061)
Estradiol 17-beta-dehydrogenase 1 (UniProt P14061), EC 1.1.1.51, 1.1.1.62: 54 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 31 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P14061
- Protein
- Estradiol 17-beta-dehydrogenase 1
- EC
- 1.1.1.51, 1.1.1.62
- Experimental structures
- 54
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 31 · 5 records with a druggable one
Structures
55 records of P14061 in the MolNFT archive: 54 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1A27 | Human 17-beta-hydroxysteroid-dehydrogenase type 1 C-terminal deletion mutant complexed with… | x-ray diffraction | A | — | — |
| 1A27 | Human 17-beta-hydroxysteroid-dehydrogenase type 1 C-terminal deletion mutant complexed with… | x-ray diffraction | A | — | — |
| 1BHS | Human estrogenic 17BETA-hydroxysteroid dehydrogenase | x-ray diffraction | A | — | — |
| 1BHS | Human estrogenic 17BETA-hydroxysteroid dehydrogenase | x-ray diffraction | A | — | — |
| 1DHT | Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dihydrotestosterone | x-ray diffraction | A | — | — |
| 1DHT | Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dihydrotestosterone | x-ray diffraction | A | — | — |
| 1EQU | Type 1 17-beta hydroxysteroid dehydrogenase equilin complexed with NADP+ | x-ray diffraction | A, B | — | — |
| 1EQU | Type 1 17-beta hydroxysteroid dehydrogenase equilin complexed with NADP+ | x-ray diffraction | A, B | — | — |
| 1FDS | Human 17-beta-hydroxysteroid-dehydrogenase type 1 complexed with 17-beta-estradiol | x-ray diffraction | A | — | — |
| 1FDS | Human 17-beta-hydroxysteroid-dehydrogenase type 1 complexed with 17- beta-estradiol | x-ray diffraction | A | — | — |
| 1FDT | Human 17-beta-hydroxysteroid-dehydrogenase type 1 complexed with estradiol and NADP+ | x-ray diffraction | A | — | — |
| 1FDT | Human 17-beta-hydroxysteroid-dehydrogenase type 1 complexed with estradiol and NADP+ | x-ray diffraction | A | — | — |
| 1FDU | Human 17-beta-hydroxysteroid-dehydrogenase type 1 mutant H221L complexed with estradiol and NADP+ | x-ray diffraction | A, B, C, D | — | — |
| 1FDU | Human 17-beta-hydroxysteroid-dehydrogenase type 1 mutant H221L complexed with estradiol and NADP+ | x-ray diffraction | A, B, C, D | — | — |
| 1FDV | Human 17-beta-hydroxysteroid-dehydrogenase type 1 mutant H221L complexed with NAD+ | x-ray diffraction | A, B, C, D | — | — |
| 1FDV | Human 17-beta-hydroxysteroid-dehydrogenase type 1 mutant H221L complexed with NAD+ | x-ray diffraction | A, B, C, D | — | — |
| 1FDW | Human 17-beta-hydroxysteroid-dehydrogenase type 1 mutant H221Q complexed with estradiol | x-ray diffraction | A | — | — |
| 1FDW | Human 17-beta-hydroxysteroid-dehydrogenase type 1 mutant H221Q complexed with estradiol | x-ray diffraction | A | — | — |
| 1I5R | Type 1 17-beta hydroxysteroid dehydrogenase EM1745 complex | x-ray diffraction | A | — | — |
| 1I5R | Type 1 17-beta hydroxysteroid dehydrogenase EM1745 complex | x-ray diffraction | A | — | — |
| 1IOL | Estrogenic 17-beta hydroxysteroid dehydrogenase complexed 17-beta-estradiol | x-ray diffraction | A | — | — |
| 1IOL | Estrogenic 17-beta hydroxysteroid dehydrogenase complexed 17-beta- estradiol | x-ray diffraction | A | — | — |
| 1JTV | Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with Testosterone | x-ray diffraction | A | — | — |
| 1JTV | Crystal structure of 17BETA-hydroxysteroid dehydrogenase type 1 complexed with testosterone | x-ray diffraction | A | — | — |
| 1QYV | Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with NADP | x-ray diffraction | A | — | — |
| 1QYV | Crystal structure of human estrogenic 17BETA-hydroxysteroid dehydrogenase complex with NADP | x-ray diffraction | A | — | — |
| 1QYW | Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with… | x-ray diffraction | A | — | — |
| 1QYW | Crystal structure of human estrogenic 17BETA-hydroxysteroid dehydrogenase complex with… | x-ray diffraction | A | — | — |
| 1QYX | Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with… | x-ray diffraction | A | — | — |
| 1QYX | Crystal structure of human estrogenic 17BETA-hydroxysteroid dehydrogenase complex with… | x-ray diffraction | A | — | — |
| 3DEY | Crystal structure of 17beta-HSD1 with DHT in normal and reverse orientation. | x-ray diffraction | X | — | — |
| 3DEY | Crystal structure of 17BETA-HSD1 with dht in normal and reverse orientation. | x-ray diffraction | X | — | — |
| 3DHE | Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dehydroepiandrosterone | x-ray diffraction | A | — | — |
| 3DHE | Estrogenic 17-beta hydroxysteroid dehydrogenase complexed dehydroepiandrosterone | x-ray diffraction | A | — | — |
| 3HB4 | 17beta-hydroxysteroid dehydrogenase type1 complexed with E2B | x-ray diffraction | X | — | — |
| 3HB4 | 17BETA-hydroxysteroid dehydrogenase TYPE1 complexed with E2B | x-ray diffraction | X | — | — |
| 3HB5 | Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound… | x-ray diffraction | X | — | — |
| 3HB5 | Binary and ternary crystal structures of a novel inhibitor of 17 beta- hsd type 1: a lead compound… | x-ray diffraction | X | — | — |
| 3KLM | 17beta-HSD1 in complex with DHT | x-ray diffraction | X | — | — |
| 3KLM | 17BETA-HSD1 in complex with dht | x-ray diffraction | X | — | — |
| 3KLP | 17beta-HSD1 in complex with A-diol | x-ray diffraction | X | — | — |
| 3KLP | 17BETA-HSD1 in complex with a-diol | x-ray diffraction | X | — | — |
| 3KM0 | 17betaHSD1 in complex with 3beta-diol | x-ray diffraction | A, B | — | — |
| 3KM0 | 17BETAHSD1 in complex with 3BETA-diol | x-ray diffraction | A, B | — | — |
| 6CGC | Crystal structure of human 17BETA-hsd type 1 in ternary complex with 2-meo-cc-156 and NADP+ | x-ray diffraction | A, B | NAP, F0A | — |
| 6CGE | Crystal structure of human 17beta-HSD type 1 in ternary complex with PBRM and NADP+ | x-ray diffraction | A, B | NAP, F0D | 5 (best 0.77) |
| 6CGE | Crystal structure of human 17BETA-hsd type 1 in ternary complex with pbrm and NADP+ | x-ray diffraction | A, B | NAP, F0D | — |
| 6DTP | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 1 complexed with EM139 | x-ray diffraction | A, B | EM9 | 7 (best 0.80) |
| 6DTP | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 1 complexed with EM139 | x-ray diffraction | A, B | EM9 | — |
| 6MNC | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 1 complexed with estrone | x-ray diffraction | A, B | J3Z | 7 (best 0.78) |
| 6MNC | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 1 complexed with estrone | x-ray diffraction | A, B | J3Z | — |
| 6MNE | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 1 complexed with estrone and… | x-ray diffraction | A, B | NAP, J3Z | 6 (best 0.78) |
| 6MNE | Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 1 complexed with estrone and… | x-ray diffraction | A, B | NAP, J3Z | — |
| 7X3Z | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD | x-ray diffraction | A, B | NAD, J3Z | 6 (best 0.76) |
| P14061 | AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase type 1 (P14061) | predicted | A | — | — |
Ligands
- J3Z · (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one · in 5 records
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 5 records
- EM9 · N-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha, 17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide · in 2 records
- F0D · 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide · in 2 records
- F0A · 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide · in 1 record
- NAD · Nicotinamide-adenine-dinucleotide · in 1 record
Experiment against prediction
- 1QYV chain A against the predicted model P14061: TM-score 1.00, RMSD 0.30 Å
- 1QYV chain A against the predicted model P14061: TM-score 1.00, RMSD 0.30 Å
- 1QYX chain A against the predicted model P14061: TM-score 1.00, RMSD 0.32 Å
- 1QYX chain A against the predicted model P14061: TM-score 1.00, RMSD 0.32 Å
- 1JTV chain A against the predicted model P14061: TM-score 1.00, RMSD 0.33 Å
- 1JTV chain A against the predicted model P14061: TM-score 1.00, RMSD 0.33 Å
- 1QYW chain A against the predicted model P14061: TM-score 1.00, RMSD 0.33 Å
- 1QYW chain A against the predicted model P14061: TM-score 1.00, RMSD 0.33 Å
- 3DEY chain X against the predicted model P14061: TM-score 1.00, RMSD 0.36 Å
- 3KLM chain X against the predicted model P14061: TM-score 1.00, RMSD 0.36 Å
Elsewhere
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